methyl 4-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-cyano-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[[4-cyano-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]thio]methyl]benzoic acid methyl ester Formula: C23H20N2O2S2 MolecularWeight: 420.5471

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC(=C3CCCCC3=C2C#N)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC(=C3CCCCC3=C2C#N)C4=CC=CS4

InChI

InChI=1S/C23H20N2O2S2/c1-27-23(26)16-10-8-15(9-11-16)14-29-22-19(13-24)17-5-2-3-6-18(17)21(25-22)20-7-4-12-28-20/h4,7-12H,2-3,5-6,14H2,1H3